N-(3-methoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide

C4H8N4O3S — CID 83101764

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide
SMILESCOc1n[nH]c(NS(C)(=O)=O)n1
InChIInChI=1S/C4H8N4O3S/c1-11-4-5-3(6-7-4)8-12(2,9)10/h1-2H3,(H2,5,6,7,8)
InChIKeyNYHRWGRTXMIDJL-UHFFFAOYSA-N
MW192.20 g/mol
LogP-0.82
Rot. Bonds3

About N-(3-methoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide

N-(3-methoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide (PubChem CID 83101764) has the molecular formula C4H8N4O3S and a molecular weight of 192.20 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide
PubChem CID83101764
Molecular FormulaC4H8N4O3S
Molecular Weight192.20 g/mol
Exact Mass192.03
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide
SMILESCOc1n[nH]c(NS(C)(=O)=O)n1
InChIInChI=1S/C4H8N4O3S/c1-11-4-5-3(6-7-4)8-12(2,9)10/h1-2H3,(H2,5,6,7,8)
InChIKeyNYHRWGRTXMIDJL-UHFFFAOYSA-N
XLogP-0.82
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide (CID 83101764) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide is COc1n[nH]c(NS(C)(=O)=O)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide?
The InChIKey is NYHRWGRTXMIDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O3S/c1-11-4-5-3(6-7-4)8-12(2,9)10/h1-2H3,(H2,5,6,7,8).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide has a molecular weight of 192.20 g/mol, XLogP of -0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide is sourced from PubChem (CID 83101764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).